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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2D6 (2D6)' and Ligand = 'BDBM50174968'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50174968
PNG
((R)-N-((S)-2-((S)-3-hydroxypyrrolidin-1-yl)-1-phen...)
Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)[C@H]1CCc2cc(CNS(C)(=O)=O)ccc2O1
Show InChI InChI=1S/C25H33N3O5S/c1-27(22(19-6-4-3-5-7-19)17-28-13-12-21(29)16-28)25(30)24-11-9-20-14-18(8-10-23(20)33-24)15-26-34(2,31)32/h3-8,10,14,21-22,24,26,29H,9,11-13,15-17H2,1-2H3/t21-,22+,24+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 3.90E+3n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against CYP2D6


Bioorg Med Chem Lett 15: 5114-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.094
BindingDB Entry DOI: 10.7270/Q23F4P6H
More data for this
Ligand-Target Pair